MONTE-CARLO AND MEAN-FIELD STUDIES OF SUCCESSIVE PHASE-TRANSITIONS IN ROD MONOLAYERS

Citation:

D Kramer, Benshaul, A. , CHEN, ZY , and Gelbart, W.M. . 1992. “Monte-Carlo And Mean-Field Studies Of Successive Phase-Transitions In Rod Monolayers”. Journal Of Chemical Physics, 96, Pp. 2236-2252. doi:10.1063/1.462074.

Abstract:

In this paper we present a rigid-rod model (involving a restricted set of orientations) which is solved first with mean-field theory and then by Monte Carlo simulation. It is shown that both interparticle attractions and anisotropic adsorption energies are necessary in order for two successive fluid-fluid transitions to occur. The first is basically a gas-liquid condensation of ‘‘lying down’’ rods in the plane of the surface, and the second involves a ‘‘standing up’’ of the particles. A close qualitative correspondence is established between the results obtained in the mean-field and Monte Carlo descriptions. The role of biaxial states, i.e., in-plane orientational ordering, is also discussed in both contexts. To this end, we develop an analogy between our one-component rod monolayer and a bidisperse system of interconverting isotropic particles.